3032322
 OpenBabel05082101102D

 11  9  0  0  0  0  0  0  0  0999 V2000
    2.2690    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    5.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3032322

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
33

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADAABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAAAAABAAAQEAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;carbamodithioic acid

>  <PUBCHEM_IUPAC_CAS_NAME>
ammonia;carbamodithioic acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
azane;carbamodithioic acid

>  <PUBCHEM_IUPAC_NAME>
azane;carbamodithioic acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;carbamodithioic acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;carbamodithioic acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DCYNAHFAQKMWDW-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
109.997241

>  <PUBCHEM_MOLECULAR_FORMULA>
CH6N2S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
110.21

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=S)(N)S.N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=S)(N)S.N

>  <PUBCHEM_CACTVS_TPSA>
60.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
109.997241

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
